SCHEMBL28016153

SCHEMBL28016153

O=[N+]([O-])c1ccc2c(c1)CC(F)C(F)O2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 8/20 0.42
ADRA2A P08913 5/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
MAPT P10636 1/20 0.41
CHRNB4 P30926 3/20 0.39
CHRNA3 P32297 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28876770 0.84 PNMT (0.43) PNMTADRA2AMEN1KMT2ANPC1
SCHEMBL28284898 0.78 PNMT (0.43) PNMTADRA2AMEN1KMT2ANPC1
SCHEMBL16190023 0.78 TDP1 (0.53) PNMTADRA2AMEN1KMT2ANPC1
SCHEMBL12227742 0.76 ALDH1A1 (0.42) PNMTADRA2AMEN1KMT2ANPC1
SCHEMBL14780632 0.75 MEN1 (0.43) PNMTADRA2AMEN1KMT2ANPC1
SCHEMBL13712678 0.75 AKR1B1 (0.43) PNMTADRA2AMEN1KMT2ANPC1
SCHEMBL14421919 0.75 PNMT (0.42) PNMTADRA2AMEN1KMT2ANPC1
SCHEMBL31561625 0.73 CHRNB4 (0.44) PNMTADRA2AMEN1KMT2ANPC1
SCHEMBL27330132 0.73 PNMT (0.42) PNMTADRA2AMEN1KMT2ANPC1
SCHEMBL8039748 0.72 PNMT (0.40) PNMTADRA2AMEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103508961-B Antitumor drug CROWN BIOSCIENCE TAICANG CO LTD 2015-07-22 CN disclosed